2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine

C14H28N2O2 — CID 62593612

IUPAC2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN(CC2CCOC2)C1
InChIInChI=1S/C14H28N2O2/c1-17-8-5-15-9-13-3-2-6-16(10-13)11-14-4-7-18-12-14/h13-15H,2-12H2,1H3
InChIKeyOZDLFKPUIKMYDM-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.97
Rot. Bonds7

About 2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine

2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine (PubChem CID 62593612) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine
PubChem CID62593612
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN(CC2CCOC2)C1
InChIInChI=1S/C14H28N2O2/c1-17-8-5-15-9-13-3-2-6-16(10-13)11-14-4-7-18-12-14/h13-15H,2-12H2,1H3
InChIKeyOZDLFKPUIKMYDM-UHFFFAOYSA-N
XLogP0.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(cyclopropylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591849
N-methyl-1-[1-(oxolan-3-ylmethyl)piperidin-3-yl]methanamine
CID 61204128
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
N-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 79174620
2-methoxy-N-[[1-(oxan-3-yl)piperidin-3-yl]methyl]ethanamine
CID 107137622
2-methoxy-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62593435
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 82887872
2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid
CID 62690444
N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 82925348
2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 55090292
N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 65459890
2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine
CID 62592907

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine (CID 62593612) is 2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine is COCCNCC1CCCN(CC2CCOC2)C1.
What is the InChIKey of 2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is OZDLFKPUIKMYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-17-8-5-15-9-13-3-2-6-16(10-13)11-14-4-7-18-12-14/h13-15H,2-12H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine?
2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 256.39 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62593612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).